Information card for entry 7158305

Structure parameters

• Formula: C20 H20 O S2
• Calculated formula: C20 H20 O S2
• Title of publication: Dearomatization reaction of β-naphthols with disulfurating reagents.
• Authors of publication: Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 40
• Pages of publication: 8761 - 8771
• a: 9.8031 ± 0.0005 Å
• b: 12.4858 ± 0.0006 Å
• c: 14.4741 ± 0.0008 Å
• α: 90°
• β: 100.794 ± 0.002°
• γ: 90°
• Cell volume: 1740.28 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No